Registration Dossier
Registration Dossier
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EC number: 246-278-9 | CAS number: 24468-13-1
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant bioaccumulation of 2-ethylhexyl chloroformate and the hydrolysis product 2-ethylhexanol is not to be expected
Key value for chemical safety assessment
Additional information
QSAR-disclaimer
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of 2-ethylhexyl chloroformate and the hydrolysis product 2-ethylhaxanol (Q)SAR results were used for aquatic bioaccumulation. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation are not provided.
Assessment
2-ethylhexyl chloroformate rapidly hydrolyses in contact with water (DT50 at 25 °C and pH 7 = 30.2 min, Safepharm, 2003) to form 2-ethylhexanol (CAS 104-76-7), hydrogen chloride (HCl, CAS 7647-01-0) and CO2. Due to this rapid hydrolysis, the assessment of the bioaccumulation potential of the parent compound is considered to be of low relevance. No data for bioaccumulation of HCl are available. However, the substance cannot be measured in organisms as it dissociates completely under environmentally relevant conditions into H+ (H3O+) and Cl-. The resulting pH effect will be buffered in natural systems. Chlorine is abundant in organisms and will be excreted via urine/faeces. Therefore, no study and data will be provided for this hydrolysis product.
The assessment of bioaccumulation potential is therefore based solely on the data available for 2-ethylhexanol (CAS 104-76-7).
In order to assess the bioaccumulation potential of 2-ethylhexanol, the BCF was calculated with OASIS Catalogic v5.14.1.5, BCF base-line model v4.11. The predicted BCF values were 16.98 L/kg (considering all mitigating factors; substance within AD) and 154.88 L/kg (not considering mitigating factors; substance within AD) (BASF SE, 2021).
Conclusion
Based on the available measured and calculated data on the log Kow of 2-ethylhexanol (log Kow = 2.97, BASF AG, 1987, 124659/02) and supported by data derived by the applied QSAR model (OASIS Catalogic, BCF-baseline), it can be concluded that significant accumulation in organisms is not to be expected.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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